1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone

C15H19BrFNO — CID 116584544

IUPAC1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
SMILESNCC1CCCCC1C(=O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H19BrFNO/c16-12-5-10(6-13(17)8-12)7-15(19)14-4-2-1-3-11(14)9-18/h5-6,8,11,14H,1-4,7,9,18H2
InChIKeyUYUPODGZEKAHQU-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone

1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone (PubChem CID 116584544) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
PubChem CID116584544
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC Name1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
SMILESNCC1CCCCC1C(=O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H19BrFNO/c16-12-5-10(6-13(17)8-12)7-15(19)14-4-2-1-3-11(14)9-18/h5-6,8,11,14H,1-4,7,9,18H2
InChIKeyUYUPODGZEKAHQU-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116595152
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 115786828
2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547767
1-(azepan-2-yl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116582543
1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584628
1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
CID 116584506
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483
1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
CID 116584625
1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone
CID 116584689
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
1-bromo-3-[(2-bromocyclohexyl)methyl]-5-fluorobenzene
CID 79709732

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone (CID 116584544) is 1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone is NCC1CCCCC1C(=O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone?
The InChIKey is UYUPODGZEKAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c16-12-5-10(6-13(17)8-12)7-15(19)14-4-2-1-3-11(14)9-18/h5-6,8,11,14H,1-4,7,9,18H2.
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone?
1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone has a molecular weight of 328.22 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone is sourced from PubChem (CID 116584544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).